6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one

C13H10N4O2S — CID 82068607

IUPAC6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
SMILESCc1nc2scc(-c3ccc4[nH]c(=O)oc4c3)n2c1N
InChIInChI=1S/C13H10N4O2S/c1-6-11(14)17-9(5-20-12(17)15-6)7-2-3-8-10(4-7)19-13(18)16-8/h2-5H,14H2,1H3,(H,16,18)
InChIKeyRNBBEWMSMWIUIV-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.39
Rot. Bonds1

About 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one

6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 82068607) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
PubChem CID82068607
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
SMILESCc1nc2scc(-c3ccc4[nH]c(=O)oc4c3)n2c1N
InChIInChI=1S/C13H10N4O2S/c1-6-11(14)17-9(5-20-12(17)15-6)7-2-3-8-10(4-7)19-13(18)16-8/h2-5H,14H2,1H3,(H,16,18)
InChIKeyRNBBEWMSMWIUIV-UHFFFAOYSA-N
XLogP2.39
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-methyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068565
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198772
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116869188
N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108780600
6-(4-sulfanyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one
CID 116889686
6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one
CID 116832176
6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one
CID 39197288
2,3-dimethyl-6-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39200863
3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide
CID 110350957
6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one
CID 83779516

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one (CID 82068607) is 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one is Cc1nc2scc(-c3ccc4[nH]c(=O)oc4c3)n2c1N.
What is the InChIKey of 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is RNBBEWMSMWIUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-6-11(14)17-9(5-20-12(17)15-6)7-2-3-8-10(4-7)19-13(18)16-8/h2-5H,14H2,1H3,(H,16,18).
What are the key properties of 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one?
6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 286.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82068607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).